Reaction Details Report a problem with these data
Target
Alpha-galactosidase A
Ligand
BDBM50564235
Substrate
n/a
Meas. Tech.
ChEMBL_2087264 (CHEMBL4768527)
Ki
18000±n/a nM
Citation
 Martínez-Bailén, M; Carmona, AT; Cardona, F; Matassini, C; Goti, A; Kubo, M; Kato, A; Robina, I; Moreno-Vargas, AJ Synthesis of multimeric pyrrolidine iminosugar inhibitors of human ?-glucocerebrosidase and ?-galactosidase A: First example of a multivalent enzyme activity enhancer for Fabry disease. Eur J Med Chem 192:0 (2020) [PubMed]  Article 
Target
Name:
Alpha-galactosidase A
Synonyms:
AGAL_HUMAN | Alpha-D-galactosidase A | Alpha-D-galactoside galactohydrolase | Alpha-galactosidase A | Alpha-glucosidase A (α-Gal A) | GLA | INN=Agalsidase | Melibiase
Type:
Protein
Mol. Mass.:
48760.21
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
429
Sequence:
MQLRNPELHLGCALALRFLALVSWDIPGARALDNGLARTPTMGWLHWERFMCNLDCQEEPDSCISEKLFMEMAELMVSEGWKDAGYEYLCIDDCWMAPQRDSEGRLQADPQRFPHGIRQLANYVHSKGLKLGIYADVGNKTCAGFPGSFGYYDIDAQTFADWGVDLLKFDGCYCDSLENLADGYKHMSLALNRTGRSIVYSCEWPLYMWPFQKPNYTEIRQYCNHWRNFADIDDSWKSIKSILDWTSFNQERIVDVAGPGGWNDPDMLVIGNFGLSWNQQVTQMALWAIMAAPLFMSNDLRHISPQAKALLQDKDVIAINQDPLGKQGYQLRQGDNFEVWERPLSGLAWAVAMINRQEIGGPRSYTIAVASLGKGVACNPACFITQLLPVKRKLGFYEWTSRLRSHINPTGTVLLQLENTMQMSLKDLL
  
Inhibitor
Name:
BDBM50564235
Synonyms:
CHEMBL4793871
Type:
Small organic molecule
Emp. Form.:
C64H86N22O15
Mol. Mass.:
1403.506
SMILES:
NC(COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCOCCOc2ccc(cc2)-c2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1 |r|
Structure:
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